data_global _chemical_name_mineral 'Labradorite' loop_ _publ_author_name 'Wenk H R' 'Joswig W' 'Tagai T' 'Korekawa M' 'Smith B K' _journal_name_full 'American Mineralogist' _journal_volume 65 _journal_year 1980 _journal_page_first 81 _journal_page_last 95 _publ_section_title ; The average structure of An 62-66 labradorite Verzasca x-ray feldspar ; _database_code_amcsd 0000761 _chemical_formula_sum 'Ca.32 Na.18 Si1.184 Al.814 O4' _cell_length_a 8.151 _cell_length_b 12.829 _cell_length_c 7.103 _cell_angle_alpha 93.62 _cell_angle_beta 116.21 _cell_angle_gamma 89.7 _cell_volume 664.843 _exptl_crystal_density_diffrn 2.721 _symmetry_space_group_name_H-M 'C -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 0.26790 0.97870 0.16590 0.32000 Na1 0.26790 0.97870 0.16590 0.18000 Ca2 0.27130 0.02850 0.10230 0.32000 Na2 0.27130 0.02850 0.10230 0.18000 Si1 0.00665 0.16503 0.21328 0.59200 Al1 0.00665 0.16503 0.21328 0.40700 Si2 0.00338 0.81758 0.23205 0.59200 Al2 0.00338 0.81758 0.23205 0.40700 Si3 0.68674 0.10935 0.31711 0.59200 Al3 0.68674 0.10935 0.31711 0.40700 Si4 0.68204 0.87952 0.35720 0.59200 Al4 0.68204 0.87952 0.35720 0.40700 Oa1 0.00330 0.13030 0.97790 1.00000 Oa2 0.58330 0.99320 0.27880 1.00000 Obo 0.81270 0.10680 0.19020 1.00000 Obm 0.81700 0.85270 0.24660 1.00000 Oco 0.01450 0.29310 0.27780 1.00000 Ocm 0.01630 0.68900 0.21740 1.00000 Odo 0.19900 0.10820 0.38500 1.00000 Odm 0.18890 0.86710 0.43140 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ca1 0.01462 0.06341 0.03133 -0.00872 0.01154 -0.02350 Na1 0.01462 0.06341 0.03133 -0.00872 0.01154 -0.02350 Ca2 0.00986 0.02432 0.02048 0.00555 0.00210 -0.00701 Na2 0.00986 0.02432 0.02048 0.00555 0.00210 -0.00701 Si1 0.00926 0.01469 0.00901 -0.00228 0.00330 0.00190 Al1 0.00926 0.01469 0.00901 -0.00228 0.00330 0.00190 Si2 0.00907 0.01427 0.00711 0.00574 0.00280 0.00091 Al2 0.00907 0.01427 0.00711 0.00574 0.00280 0.00091 Si3 0.00612 0.00681 0.00819 0.00156 0.00193 0.00033 Al3 0.00612 0.00681 0.00819 0.00156 0.00193 0.00033 Si4 0.00712 0.00896 0.00942 0.00090 0.00332 0.00210 Al4 0.00712 0.00896 0.00942 0.00090 0.00332 0.00210 Oa1 0.02708 0.03021 0.01741 0.00322 0.01295 0.00544 Oa2 0.01354 0.01552 0.01618 -0.00014 0.00400 0.00326 Obo 0.02031 0.01934 0.02458 -0.00223 0.01366 -0.00033 Obm 0.02274 0.02564 0.03912 0.00332 0.01907 -0.00128 Oco 0.01814 0.02540 0.02212 -0.00417 0.00754 0.00301 Ocm 0.02031 0.02697 0.01905 0.01128 0.00330 -0.00350 Odo 0.01922 0.02199 0.01454 -0.00019 0.00212 0.00181 Odm 0.02031 0.02407 0.01761 0.00209 0.00188 -0.00186